3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine

C17H29N — CID 63413299

IUPAC3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-9-14(3)13-17(18-12-6-2)16-11-8-7-10-15(16)4/h7-8,10-11,14,17-18H,5-6,9,12-13H2,1-4H3
InChIKeyALKIMHSGTSTYQK-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.86
Rot. Bonds8

About 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine

3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine (PubChem CID 63413299) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
PubChem CID63413299
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CCC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-9-14(3)13-17(18-12-6-2)16-11-8-7-10-15(16)4/h7-8,10-11,14,17-18H,5-6,9,12-13H2,1-4H3
InChIKeyALKIMHSGTSTYQK-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(3-bromo-2-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845363
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
1-(2,6-dimethyl-3-pyridinyl)-3-methyl-N-propylhexan-1-amine
CID 105137878
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N-[2-butan-2-ylsulfinyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64651076
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine (CID 63413299) is 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine is CCCNC(CC(C)CCC)c1ccccc1C.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is ALKIMHSGTSTYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-14(3)13-17(18-12-6-2)16-11-8-7-10-15(16)4/h7-8,10-11,14,17-18H,5-6,9,12-13H2,1-4H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine?
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 63413299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).